docosanoic acid Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
3855 112-85-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • docosanoic acid
  • behenic acid
  • hydrofol
  • Molecular weight: 340.59
  • Formula: C22H44O2
  • CLOGP: 10.39
  • LIPINSKI: 1
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -7.05
  • ROTB: 20

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:76924 plant metabolites

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.76 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Peroxisome proliferator-activated receptor delta Nuclear hormone receptor IC50 4.52 CHEMBL
Peroxisome proliferator-activated receptor gamma Nuclear hormone receptor IC50 4.52 CHEMBL
Peroxisome proliferator-activated receptor alpha Nuclear hormone receptor IC50 4.52 CHEMBL

External reference:

IDSource
H390488X0A UNII
C0053073 UMLSCUI
CHEBI:28941 CHEBI
EO3 PDB_CHEM_ID
CHEMBL1173474 ChEMBL_ID
C007547 MESH_SUPPLEMENTAL_RECORD_UI
8215 PUBCHEM_CID
1368203 RXNORM
013590 NDDF

Pharmaceutical products:

None